[QE-users] FFT grid error with DFT+U+V

[Dr. K. C. Bhamu]

Dear QE Users,
I am trying to run DFT+U+V using hp.x for magnetite (Fe3O4) structure using
QE_6.7 which is compiled using "MPIF90=mpiifort F90=mpiifort F77=mpiifort
CC=mpiicc --disable-openmp --enable-parallel --with-scalapack=intel".

My hp.x command is:
srun $home/qe67/bin/hp.x   < FO.hp.in > FO.hp.out.  I am using 20 cores for
this job.

For the hp.x run, I am getting the below error (listed in between ==
...===):
=====================================
     Error in routine scale_sym_ops (6):
     incompatible FFT grid
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
     Message from routine scale_sym_ops:
     found fractional translation not compatible with FFT grid
=================================

FFT grid information from the *out files is as below:

FO.hp.out:     Dense  grid:   352839 G-vectors     FFT dimensions: (  90,
 90,  90)
FO.hp.out:     Smooth grid:    67715 G-vectors     FFT dimensions: (  54,
 54,  54)
FO.hp.out:     G cutoff = 1922.9437  (  17645 G-vectors)     FFT grid: (
90, 90, 90)
FO.hp.out:     incompatible FFT grid
FO.hp.out:     found fractional translation not compatible with FFT grid
FO.hp.out:     incompatible FFT grid

FO.scf.out:     Dense  grid:   352839 G-vectors     FFT dimensions: (  90,
 90,  90)
FO.scf.out:     Smooth grid:    67715 G-vectors     FFT dimensions: (  54,
 54,  54)

Could you tell me how can I remove this error?

Please let me know if I need to provide some additional information. The QE
input file is provided in my previous email.
My hp.in file is:
 &inputhp
   prefix = 'pwscf',
   outdir = './tmp/',
   nq1 = 2, nq2 = 2, nq3 = 2,
   conv_thr_chi = 1.0d-8,
   iverbosity = 2
/


Regards
Bhamu
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